Solution structure of toxin, U-RDTX-Pp19, from assassin bug Pristhesancus plagipennis
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | disulfide | sing | 1:CYS3:SG | 1:CYS40:SG |
2 | disulfide | sing | 1:CYS8:SG | 1:CYS31:SG |
3 | disulfide | sing | 1:CYS18:SG | 1:CYS39:SG |
ID | Entity ID | Seq ID | Comp ID | Atom ID | Atom type | Val | Val err | Ambig. code |
---|---|---|---|---|---|---|---|---|
1 | 1 | 1 | GLY | HA2 | H | 3.899 | 0.000 | 2 |
2 | 1 | 1 | GLY | CA | C | 43.659 | 0.000 | 1 |
3 | 1 | 2 | VAL | H | H | 8.989 | 0.001 | 1 |
4 | 1 | 2 | VAL | HA | H | 4.358 | 0.003 | 1 |
5 | 1 | 2 | VAL | HB | H | 2.077 | 0.001 | 1 |
6 | 1 | 2 | VAL | HG11 | H | 0.927 | 0.001 | 1 |
7 | 1 | 2 | VAL | HG12 | H | 0.927 | 0.001 | 1 |
8 | 1 | 2 | VAL | HG13 | H | 0.927 | 0.001 | 1 |
9 | 1 | 2 | VAL | HG21 | H | 0.920 | 0.000 | 1 |
10 | 1 | 2 | VAL | HG22 | H | 0.920 | 0.000 | 1 |
11 | 1 | 2 | VAL | HG23 | H | 0.920 | 0.000 | 1 |
12 | 1 | 2 | VAL | CA | C | 61.683 | 0.000 | 1 |
13 | 1 | 2 | VAL | CB | C | 34.168 | 0.000 | 1 |
14 | 1 | 2 | VAL | CG1 | C | 20.355 | 0.000 | 1 |
15 | 1 | 2 | VAL | CG2 | C | 21.184 | 0.000 | 1 |
16 | 1 | 2 | VAL | N | N | 121.245 | 0.000 | 1 |
17 | 1 | 3 | CYS | H | H | 8.033 | 0.002 | 1 |
18 | 1 | 3 | CYS | HA | H | 5.770 | 0.003 | 1 |
19 | 1 | 3 | CYS | HB2 | H | 2.640 | 0.001 | 2 |
20 | 1 | 3 | CYS | HB3 | H | 2.907 | 0.002 | 2 |
21 | 1 | 3 | CYS | CA | C | 55.497 | 0.000 | 1 |
22 | 1 | 3 | CYS | CB | C | 49.016 | 0.010 | 1 |
23 | 1 | 3 | CYS | N | N | 119.865 | 0.000 | 1 |
24 | 1 | 4 | TRP | H | H | 8.903 | 0.001 | 1 |
25 | 1 | 4 | TRP | HA | H | 4.661 | 0.000 | 1 |
26 | 1 | 4 | TRP | HB2 | H | 3.202 | 0.002 | 1 |
27 | 1 | 4 | TRP | HB3 | H | 3.362 | 0.001 | 1 |
28 | 1 | 4 | TRP | HD1 | H | 6.767 | 0.001 | 1 |
29 | 1 | 4 | TRP | HE1 | H | 9.655 | 0.000 | 1 |
30 | 1 | 4 | TRP | HE3 | H | 7.065 | 0.001 | 1 |
31 | 1 | 4 | TRP | HZ2 | H | 6.818 | 0.002 | 1 |
32 | 1 | 4 | TRP | HZ3 | H | 6.463 | 0.001 | 1 |
33 | 1 | 4 | TRP | HH2 | H | 5.913 | 0.002 | 1 |
34 | 1 | 4 | TRP | CB | C | 31.137 | 0.002 | 1 |
35 | 1 | 4 | TRP | CD1 | C | 127.640 | 0.000 | 1 |
36 | 1 | 4 | TRP | CE3 | C | 121.414 | 0.000 | 1 |
37 | 1 | 4 | TRP | CZ2 | C | 114.232 | 0.000 | 1 |
38 | 1 | 4 | TRP | CZ3 | C | 120.679 | 0.000 | 1 |
39 | 1 | 4 | TRP | CH2 | C | 123.845 | 0.000 | 1 |
40 | 1 | 4 | TRP | N | N | 119.321 | 0.000 | 1 |
41 | 1 | 4 | TRP | NE1 | N | 128.398 | 0.000 | 1 |
42 | 1 | 5 | ASP | H | H | 8.422 | 0.001 | 1 |
43 | 1 | 5 | ASP | HA | H | 5.958 | 0.001 | 1 |
44 | 1 | 5 | ASP | HB2 | H | 2.514 | 0.000 | 2 |
45 | 1 | 5 | ASP | HB3 | H | 2.620 | 0.000 | 2 |
46 | 1 | 5 | ASP | CA | C | 52.494 | 0.000 | 1 |
47 | 1 | 5 | ASP | CB | C | 41.588 | 0.002 | 1 |
48 | 1 | 5 | ASP | N | N | 119.419 | 0.000 | 1 |
49 | 1 | 6 | THR | H | H | 9.237 | 0.001 | 1 |
50 | 1 | 6 | THR | HA | H | 4.470 | 0.000 | 1 |
51 | 1 | 6 | THR | HB | H | 5.014 | 0.002 | 1 |
52 | 1 | 6 | THR | HG21 | H | 1.537 | 0.000 | 1 |
53 | 1 | 6 | THR | HG22 | H | 1.537 | 0.000 | 1 |
54 | 1 | 6 | THR | HG23 | H | 1.537 | 0.000 | 1 |
55 | 1 | 6 | THR | CA | C | 62.141 | 0.000 | 1 |
56 | 1 | 6 | THR | CB | C | 72.356 | 0.000 | 1 |
57 | 1 | 6 | THR | CG2 | C | 22.242 | 0.000 | 1 |
58 | 1 | 6 | THR | N | N | 113.526 | 0.000 | 1 |
59 | 1 | 7 | GLY | H | H | 8.063 | 0.000 | 1 |
60 | 1 | 7 | GLY | HA2 | H | 3.832 | 0.001 | 2 |
61 | 1 | 7 | GLY | HA3 | H | 4.276 | 0.000 | 2 |
62 | 1 | 7 | GLY | CA | C | 44.630 | 0.011 | 1 |
63 | 1 | 7 | GLY | N | N | 102.621 | 0.000 | 1 |
64 | 1 | 8 | CYS | H | H | 8.610 | 0.002 | 1 |
65 | 1 | 8 | CYS | HA | H | 4.152 | 0.003 | 1 |
66 | 1 | 8 | CYS | HB2 | H | 2.777 | 0.003 | 1 |
67 | 1 | 8 | CYS | HB3 | H | 2.720 | 0.004 | 1 |
68 | 1 | 8 | CYS | CA | C | 56.018 | 0.000 | 1 |
69 | 1 | 8 | CYS | CB | C | 38.593 | 0.007 | 1 |
70 | 1 | 8 | CYS | N | N | 117.325 | 0.000 | 1 |
71 | 1 | 9 | GLN | H | H | 8.907 | 0.001 | 1 |
72 | 1 | 9 | GLN | HA | H | 3.813 | 0.001 | 1 |
73 | 1 | 9 | GLN | HB2 | H | 1.851 | 0.002 | 2 |
74 | 1 | 9 | GLN | HB3 | H | 2.533 | 0.001 | 2 |
75 | 1 | 9 | GLN | HG2 | H | 2.379 | 0.006 | 1 |
76 | 1 | 9 | GLN | HG3 | H | 3.019 | 0.001 | 1 |
77 | 1 | 9 | GLN | HE21 | H | 7.702 | 0.002 | 1 |
78 | 1 | 9 | GLN | HE22 | H | 6.211 | 0.002 | 1 |
79 | 1 | 9 | GLN | CA | C | 55.572 | 0.000 | 1 |
80 | 1 | 9 | GLN | CB | C | 27.314 | 0.018 | 1 |
81 | 1 | 9 | GLN | CG | C | 33.717 | 0.002 | 1 |
82 | 1 | 9 | GLN | N | N | 133.554 | 0.000 | 1 |
83 | 1 | 9 | GLN | NE2 | N | 107.134 | 0.006 | 1 |
84 | 1 | 10 | LEU | HA | H | 3.868 | 0.001 | 1 |
85 | 1 | 10 | LEU | HB2 | H | 1.132 | 0.002 | 1 |
86 | 1 | 10 | LEU | HB3 | H | 0.227 | 0.001 | 1 |
87 | 1 | 10 | LEU | HG | H | 0.947 | 0.003 | 1 |
88 | 1 | 10 | LEU | HD11 | H | 0.845 | 0.001 | 2 |
89 | 1 | 10 | LEU | HD12 | H | 0.845 | 0.001 | 2 |
90 | 1 | 10 | LEU | HD13 | H | 0.845 | 0.001 | 2 |
91 | 1 | 10 | LEU | HD21 | H | 0.475 | 0.002 | 2 |
92 | 1 | 10 | LEU | HD22 | H | 0.475 | 0.002 | 2 |
93 | 1 | 10 | LEU | HD23 | H | 0.475 | 0.002 | 2 |
94 | 1 | 10 | LEU | CA | C | 54.754 | 0.000 | 1 |
95 | 1 | 10 | LEU | CB | C | 39.754 | 0.013 | 1 |
96 | 1 | 10 | LEU | CG | C | 26.724 | 0.000 | 1 |
97 | 1 | 10 | LEU | CD1 | C | 25.096 | 0.000 | 1 |
98 | 1 | 10 | LEU | CD2 | C | 22.133 | 0.000 | 1 |
99 | 1 | 11 | ASN | H | H | 8.402 | 0.000 | 1 |
100 | 1 | 11 | ASN | HA | H | 4.207 | 0.001 | 1 |
101 | 1 | 11 | ASN | HB2 | H | 2.693 | 0.001 | 2 |
102 | 1 | 11 | ASN | HB3 | H | 2.483 | 0.002 | 2 |
103 | 1 | 11 | ASN | HD21 | H | 7.548 | 0.000 | 1 |
104 | 1 | 11 | ASN | HD22 | H | 6.856 | 0.001 | 1 |
105 | 1 | 11 | ASN | CA | C | 55.390 | 0.000 | 1 |
106 | 1 | 11 | ASN | CB | C | 38.011 | 0.004 | 1 |
107 | 1 | 11 | ASN | N | N | 118.505 | 0.000 | 1 |
108 | 1 | 11 | ASN | ND2 | N | 112.534 | 0.008 | 1 |
109 | 1 | 12 | ALA | H | H | 7.545 | 0.001 | 1 |
110 | 1 | 12 | ALA | HA | H | 4.160 | 0.002 | 1 |
111 | 1 | 12 | ALA | HB1 | H | 1.340 | 0.002 | 1 |
112 | 1 | 12 | ALA | HB2 | H | 1.340 | 0.002 | 1 |
113 | 1 | 12 | ALA | HB3 | H | 1.340 | 0.002 | 1 |
114 | 1 | 12 | ALA | CA | C | 52.777 | 0.000 | 1 |
115 | 1 | 12 | ALA | CB | C | 19.119 | 0.000 | 1 |
116 | 1 | 12 | ALA | N | N | 117.107 | 0.000 | 1 |
117 | 1 | 13 | TRP | H | H | 7.673 | 0.000 | 1 |
118 | 1 | 13 | TRP | HA | H | 4.667 | 0.000 | 1 |
119 | 1 | 13 | TRP | HB2 | H | 3.308 | 0.001 | 1 |
120 | 1 | 13 | TRP | HB3 | H | 3.206 | 0.001 | 1 |
121 | 1 | 13 | TRP | HD1 | H | 6.995 | 0.000 | 1 |
122 | 1 | 13 | TRP | HE1 | H | 10.321 | 0.002 | 1 |
123 | 1 | 13 | TRP | HE3 | H | 7.725 | 0.001 | 1 |
124 | 1 | 13 | TRP | HZ2 | H | 7.601 | 0.001 | 1 |
125 | 1 | 13 | TRP | HZ3 | H | 7.237 | 0.001 | 1 |
126 | 1 | 13 | TRP | HH2 | H | 7.391 | 0.001 | 1 |
127 | 1 | 13 | TRP | CB | C | 29.366 | 0.001 | 1 |
128 | 1 | 13 | TRP | CD1 | C | 123.924 | 0.000 | 1 |
129 | 1 | 13 | TRP | CE3 | C | 120.821 | 0.000 | 1 |
130 | 1 | 13 | TRP | CZ2 | C | 115.045 | 0.000 | 1 |
131 | 1 | 13 | TRP | CZ3 | C | 122.182 | 0.000 | 1 |
132 | 1 | 13 | TRP | CH2 | C | 125.190 | 0.000 | 1 |
133 | 1 | 13 | TRP | N | N | 119.768 | 0.000 | 1 |
134 | 1 | 13 | TRP | NE1 | N | 128.321 | 0.000 | 1 |
135 | 1 | 14 | ALA | H | H | 8.473 | 0.000 | 1 |
136 | 1 | 14 | ALA | HA | H | 4.115 | 0.001 | 1 |
137 | 1 | 14 | ALA | HB1 | H | 1.399 | 0.002 | 1 |
138 | 1 | 14 | ALA | HB2 | H | 1.399 | 0.002 | 1 |
139 | 1 | 14 | ALA | HB3 | H | 1.399 | 0.002 | 1 |
140 | 1 | 14 | ALA | CA | C | 54.441 | 0.000 | 1 |
141 | 1 | 14 | ALA | CB | C | 19.083 | 0.000 | 1 |
142 | 1 | 14 | ALA | N | N | 123.955 | 0.000 | 1 |
143 | 1 | 15 | VAL | H | H | 7.758 | 0.000 | 1 |
144 | 1 | 15 | VAL | HA | H | 4.120 | 0.000 | 1 |
145 | 1 | 15 | VAL | HB | H | 1.813 | 0.000 | 1 |
146 | 1 | 15 | VAL | HG11 | H | 0.638 | 0.001 | 1 |
147 | 1 | 15 | VAL | HG12 | H | 0.638 | 0.001 | 1 |
148 | 1 | 15 | VAL | HG13 | H | 0.638 | 0.001 | 1 |
149 | 1 | 15 | VAL | HG21 | H | 0.755 | 0.000 | 1 |
150 | 1 | 15 | VAL | HG22 | H | 0.755 | 0.000 | 1 |
151 | 1 | 15 | VAL | HG23 | H | 0.755 | 0.000 | 1 |
152 | 1 | 15 | VAL | CA | C | 62.063 | 0.000 | 1 |
153 | 1 | 15 | VAL | CB | C | 32.901 | 0.000 | 1 |
154 | 1 | 15 | VAL | CG1 | C | 21.050 | 0.000 | 1 |
155 | 1 | 15 | VAL | CG2 | C | 20.631 | 0.000 | 1 |
156 | 1 | 15 | VAL | N | N | 117.320 | 0.000 | 1 |
157 | 1 | 16 | ARG | H | H | 8.145 | 0.001 | 1 |
158 | 1 | 16 | ARG | HA | H | 4.744 | 0.002 | 1 |
159 | 1 | 16 | ARG | HB2 | H | 2.030 | 0.001 | 2 |
160 | 1 | 16 | ARG | HB3 | H | 1.803 | 0.001 | 2 |
161 | 1 | 16 | ARG | HG2 | H | 1.639 | 0.004 | 2 |
162 | 1 | 16 | ARG | HG3 | H | 1.540 | 0.001 | 2 |
163 | 1 | 16 | ARG | HD2 | H | 3.338 | 0.001 | 2 |
164 | 1 | 16 | ARG | HD3 | H | 3.156 | 0.002 | 2 |
165 | 1 | 16 | ARG | HE | H | 7.017 | 0.001 | 1 |
166 | 1 | 16 | ARG | CA | C | 54.565 | 0.000 | 1 |
167 | 1 | 16 | ARG | CB | C | 34.363 | 0.001 | 1 |
168 | 1 | 16 | ARG | CG | C | 26.627 | 0.028 | 1 |
169 | 1 | 16 | ARG | CD | C | 43.976 | 0.005 | 1 |
170 | 1 | 16 | ARG | N | N | 123.632 | 0.000 | 1 |
171 | 1 | 16 | ARG | NE | N | 85.339 | 0.000 | 1 |
172 | 1 | 17 | GLY | H | H | 8.700 | 0.000 | 1 |
173 | 1 | 17 | GLY | HA2 | H | 1.719 | 0.000 | 1 |
174 | 1 | 17 | GLY | HA3 | H | 3.836 | 0.001 | 1 |
175 | 1 | 17 | GLY | CA | C | 42.741 | 0.017 | 1 |
176 | 1 | 17 | GLY | N | N | 110.717 | 0.000 | 1 |
177 | 1 | 18 | CYS | H | H | 8.910 | 0.001 | 1 |
178 | 1 | 18 | CYS | HA | H | 4.453 | 0.001 | 1 |
179 | 1 | 18 | CYS | HB2 | H | 2.630 | 0.000 | 1 |
180 | 1 | 18 | CYS | HB3 | H | 2.282 | 0.002 | 1 |
181 | 1 | 18 | CYS | CA | C | 57.082 | 0.000 | 1 |
182 | 1 | 18 | CYS | CB | C | 40.887 | 0.000 | 1 |
183 | 1 | 18 | CYS | N | N | 115.323 | 0.000 | 1 |
184 | 1 | 19 | ALA | H | H | 8.735 | 0.000 | 1 |
185 | 1 | 19 | ALA | HA | H | 4.195 | 0.002 | 1 |
186 | 1 | 19 | ALA | HB1 | H | 1.388 | 0.001 | 1 |
187 | 1 | 19 | ALA | HB2 | H | 1.388 | 0.001 | 1 |
188 | 1 | 19 | ALA | HB3 | H | 1.388 | 0.001 | 1 |
189 | 1 | 19 | ALA | CA | C | 55.931 | 0.000 | 1 |
190 | 1 | 19 | ALA | CB | C | 17.217 | 0.000 | 1 |
191 | 1 | 19 | ALA | N | N | 127.838 | 0.000 | 1 |
192 | 1 | 20 | GLN | H | H | 8.147 | 0.001 | 1 |
193 | 1 | 20 | GLN | HA | H | 4.012 | 0.002 | 1 |
194 | 1 | 20 | GLN | HB2 | H | 1.423 | 0.001 | 2 |
195 | 1 | 20 | GLN | HB3 | H | 1.732 | 0.002 | 2 |
196 | 1 | 20 | GLN | HG2 | H | 1.694 | 0.002 | 1 |
197 | 1 | 20 | GLN | HG3 | H | 0.296 | 0.002 | 1 |
198 | 1 | 20 | GLN | HE21 | H | 6.573 | 0.001 | 2 |
199 | 1 | 20 | GLN | HE22 | H | 7.933 | 0.000 | 2 |
200 | 1 | 20 | GLN | CA | C | 57.310 | 0.000 | 1 |
201 | 1 | 20 | GLN | CB | C | 27.353 | 0.009 | 1 |
202 | 1 | 20 | GLN | CG | C | 30.809 | 0.015 | 1 |
203 | 1 | 20 | GLN | N | N | 117.298 | 0.000 | 1 |
204 | 1 | 20 | GLN | NE2 | N | 111.448 | 0.000 | 1 |
205 | 1 | 21 | TYR | H | H | 7.397 | 0.001 | 1 |
206 | 1 | 21 | TYR | HA | H | 4.902 | 0.002 | 1 |
207 | 1 | 21 | TYR | HB2 | H | 2.588 | 0.000 | 1 |
208 | 1 | 21 | TYR | HB3 | H | 3.688 | 0.001 | 1 |
209 | 1 | 21 | TYR | HD1 | H | 7.232 | 0.003 | 1 |
210 | 1 | 21 | TYR | HD2 | H | 7.232 | 0.003 | 1 |
211 | 1 | 21 | TYR | HE1 | H | 6.777 | 0.001 | 1 |
212 | 1 | 21 | TYR | HE2 | H | 6.777 | 0.001 | 1 |
213 | 1 | 21 | TYR | CA | C | 55.638 | 0.000 | 1 |
214 | 1 | 21 | TYR | CB | C | 39.326 | 0.023 | 1 |
215 | 1 | 21 | TYR | CD1 | C | 133.636 | 0.000 | 1 |
216 | 1 | 21 | TYR | CE1 | C | 118.876 | 0.000 | 1 |
217 | 1 | 21 | TYR | N | N | 119.811 | 0.000 | 1 |
218 | 1 | 22 | GLY | H | H | 8.289 | 0.001 | 1 |
219 | 1 | 22 | GLY | HA2 | H | 3.820 | 0.000 | 2 |
220 | 1 | 22 | GLY | HA3 | H | 4.033 | 0.002 | 2 |
221 | 1 | 22 | GLY | CA | C | 45.817 | 0.001 | 1 |
222 | 1 | 22 | GLY | N | N | 109.018 | 0.000 | 1 |
223 | 1 | 23 | MET | H | H | 7.081 | 0.001 | 1 |
224 | 1 | 23 | MET | HA | H | 4.630 | 0.000 | 1 |
225 | 1 | 23 | MET | HB2 | H | 1.448 | 0.001 | 1 |
226 | 1 | 23 | MET | HB3 | H | 1.987 | 0.001 | 1 |
227 | 1 | 23 | MET | HG2 | H | 2.173 | 0.000 | 2 |
228 | 1 | 23 | MET | HG3 | H | 2.357 | 0.000 | 2 |
229 | 1 | 23 | MET | HE1 | H | 1.989 | 0.001 | 1 |
230 | 1 | 23 | MET | HE2 | H | 1.989 | 0.001 | 1 |
231 | 1 | 23 | MET | HE3 | H | 1.989 | 0.001 | 1 |
232 | 1 | 23 | MET | CA | C | 54.277 | 0.000 | 1 |
233 | 1 | 23 | MET | CB | C | 38.796 | 0.009 | 1 |
234 | 1 | 23 | MET | CG | C | 32.411 | 0.000 | 1 |
235 | 1 | 23 | MET | CE | C | 16.981 | 0.000 | 1 |
236 | 1 | 23 | MET | N | N | 117.463 | 0.000 | 1 |
237 | 1 | 24 | ARG | H | H | 8.705 | 0.001 | 1 |
238 | 1 | 24 | ARG | HA | H | 4.435 | 0.002 | 1 |
239 | 1 | 24 | ARG | HB2 | H | 1.591 | 0.000 | 2 |
240 | 1 | 24 | ARG | HB3 | H | 1.539 | 0.001 | 2 |
241 | 1 | 24 | ARG | HG2 | H | 1.457 | 0.003 | 2 |
242 | 1 | 24 | ARG | HD2 | H | 3.075 | 0.001 | 2 |
243 | 1 | 24 | ARG | HD3 | H | 3.075 | 0.001 | 2 |
244 | 1 | 24 | ARG | HE | H | 6.997 | 0.000 | 1 |
245 | 1 | 24 | ARG | CA | C | 54.739 | 0.000 | 1 |
246 | 1 | 24 | ARG | CB | C | 32.092 | 0.001 | 1 |
247 | 1 | 24 | ARG | CG | C | 27.487 | 0.000 | 1 |
248 | 1 | 24 | ARG | CD | C | 43.207 | 0.000 | 1 |
249 | 1 | 24 | ARG | N | N | 118.955 | 0.000 | 1 |
250 | 1 | 24 | ARG | NE | N | 85.066 | 0.000 | 1 |
251 | 1 | 25 | ASP | H | H | 8.379 | 0.001 | 1 |
252 | 1 | 25 | ASP | HA | H | 5.089 | 0.003 | 1 |
253 | 1 | 25 | ASP | HB2 | H | 2.628 | 0.000 | 2 |
254 | 1 | 25 | ASP | HB3 | H | 2.508 | 0.000 | 2 |
255 | 1 | 25 | ASP | CA | C | 54.224 | 0.000 | 1 |
256 | 1 | 25 | ASP | CB | C | 41.113 | 0.005 | 1 |
257 | 1 | 25 | ASP | N | N | 121.772 | 0.000 | 1 |
258 | 1 | 26 | VAL | H | H | 8.852 | 0.001 | 1 |
259 | 1 | 26 | VAL | HA | H | 4.358 | 0.000 | 1 |
260 | 1 | 26 | VAL | HB | H | 1.993 | 0.000 | 1 |
261 | 1 | 26 | VAL | HG11 | H | 0.763 | 0.001 | 2 |
262 | 1 | 26 | VAL | HG12 | H | 0.763 | 0.001 | 2 |
263 | 1 | 26 | VAL | HG13 | H | 0.763 | 0.001 | 2 |
264 | 1 | 26 | VAL | HG21 | H | 0.748 | 0.000 | 2 |
265 | 1 | 26 | VAL | HG22 | H | 0.748 | 0.000 | 2 |
266 | 1 | 26 | VAL | HG23 | H | 0.748 | 0.000 | 2 |
267 | 1 | 26 | VAL | CA | C | 62.421 | 0.000 | 1 |
268 | 1 | 26 | VAL | CB | C | 33.257 | 0.000 | 1 |
269 | 1 | 26 | VAL | CG1 | C | 20.939 | 0.000 | 1 |
270 | 1 | 26 | VAL | CG2 | C | 21.905 | 0.000 | 1 |
271 | 1 | 26 | VAL | N | N | 119.506 | 0.000 | 1 |
272 | 1 | 27 | ASN | H | H | 7.626 | 0.000 | 1 |
273 | 1 | 27 | ASN | HA | H | 4.860 | 0.002 | 1 |
274 | 1 | 27 | ASN | HB2 | H | 2.678 | 0.001 | 2 |
275 | 1 | 27 | ASN | HB3 | H | 2.519 | 0.000 | 2 |
276 | 1 | 27 | ASN | HD21 | H | 7.579 | 0.000 | 2 |
277 | 1 | 27 | ASN | HD22 | H | 6.801 | 0.001 | 2 |
278 | 1 | 27 | ASN | CA | C | 52.533 | 0.000 | 1 |
279 | 1 | 27 | ASN | CB | C | 41.668 | 0.001 | 1 |
280 | 1 | 27 | ASN | N | N | 116.168 | 0.000 | 1 |
281 | 1 | 27 | ASN | ND2 | N | 112.088 | 0.012 | 1 |
282 | 1 | 28 | MET | H | H | 8.078 | 0.000 | 1 |
283 | 1 | 28 | MET | HA | H | 4.676 | 0.000 | 1 |
284 | 1 | 28 | MET | HB2 | H | 1.679 | 0.000 | 1 |
285 | 1 | 28 | MET | HB3 | H | 1.563 | 0.001 | 1 |
286 | 1 | 28 | MET | HG2 | H | 2.185 | 0.002 | 2 |
287 | 1 | 28 | MET | HG3 | H | 2.260 | 0.001 | 2 |
288 | 1 | 28 | MET | CA | C | 54.875 | 0.000 | 1 |
289 | 1 | 28 | MET | CB | C | 36.588 | 0.007 | 1 |
290 | 1 | 28 | MET | CG | C | 32.146 | 0.003 | 1 |
291 | 1 | 28 | MET | N | N | 119.944 | 0.000 | 1 |
292 | 1 | 29 | LYS | H | H | 8.590 | 0.001 | 1 |
293 | 1 | 29 | LYS | HA | H | 4.538 | 0.001 | 1 |
294 | 1 | 29 | LYS | HB2 | H | 1.635 | 0.001 | 2 |
295 | 1 | 29 | LYS | HB3 | H | 1.539 | 0.000 | 2 |
296 | 1 | 29 | LYS | HG2 | H | 1.192 | 0.003 | 2 |
297 | 1 | 29 | LYS | HG3 | H | 1.267 | 0.000 | 2 |
298 | 1 | 29 | LYS | HD2 | H | 1.512 | 0.001 | 2 |
299 | 1 | 29 | LYS | HD3 | H | 1.512 | 0.001 | 2 |
300 | 1 | 29 | LYS | HE2 | H | 2.793 | 0.001 | 2 |
301 | 1 | 29 | LYS | HE3 | H | 2.683 | 0.002 | 2 |
302 | 1 | 29 | LYS | CA | C | 54.498 | 0.000 | 1 |
303 | 1 | 29 | LYS | CB | C | 35.647 | 0.000 | 1 |
304 | 1 | 29 | LYS | CG | C | 24.003 | 0.024 | 1 |
305 | 1 | 29 | LYS | CD | C | 29.319 | 0.000 | 1 |
306 | 1 | 29 | LYS | CE | C | 41.661 | 0.005 | 1 |
307 | 1 | 29 | LYS | N | N | 121.532 | 0.000 | 1 |
308 | 1 | 30 | SER | H | H | 8.562 | 0.001 | 1 |
309 | 1 | 30 | SER | HA | H | 4.318 | 0.000 | 1 |
310 | 1 | 30 | SER | HB2 | H | 3.757 | 0.001 | 2 |
311 | 1 | 30 | SER | HB3 | H | 3.757 | 0.001 | 2 |
312 | 1 | 30 | SER | CA | C | 59.867 | 0.000 | 1 |
313 | 1 | 30 | SER | CB | C | 63.797 | 0.000 | 1 |
314 | 1 | 30 | SER | N | N | 117.601 | 0.000 | 1 |
315 | 1 | 31 | CYS | H | H | 7.901 | 0.000 | 1 |
316 | 1 | 31 | CYS | HA | H | 4.674 | 0.000 | 1 |
317 | 1 | 31 | CYS | HB2 | H | 3.449 | 0.002 | 1 |
318 | 1 | 31 | CYS | HB3 | H | 2.965 | 0.002 | 1 |
319 | 1 | 31 | CYS | CA | C | 55.689 | 0.000 | 1 |
320 | 1 | 31 | CYS | CB | C | 48.090 | 0.005 | 1 |
321 | 1 | 31 | CYS | N | N | 118.168 | 0.000 | 1 |
322 | 1 | 32 | SER | H | H | 8.633 | 0.001 | 1 |
323 | 1 | 32 | SER | HA | H | 4.116 | 0.002 | 1 |
324 | 1 | 32 | SER | HB2 | H | 3.785 | 0.002 | 2 |
325 | 1 | 32 | SER | HB3 | H | 3.707 | 0.002 | 2 |
326 | 1 | 32 | SER | CA | C | 60.180 | 0.000 | 1 |
327 | 1 | 32 | SER | CB | C | 61.886 | 0.003 | 1 |
328 | 1 | 32 | SER | N | N | 116.192 | 0.000 | 1 |
329 | 1 | 33 | GLY | H | H | 8.721 | 0.000 | 1 |
330 | 1 | 33 | GLY | HA2 | H | 3.948 | 0.003 | 1 |
331 | 1 | 33 | GLY | HA3 | H | 3.669 | 0.001 | 1 |
332 | 1 | 33 | GLY | CA | C | 45.740 | 0.006 | 1 |
333 | 1 | 33 | GLY | N | N | 116.384 | 0.000 | 1 |
334 | 1 | 34 | GLY | H | H | 7.566 | 0.001 | 1 |
335 | 1 | 34 | GLY | HA2 | H | 4.084 | 0.000 | 2 |
336 | 1 | 34 | GLY | HA3 | H | 3.584 | 0.000 | 2 |
337 | 1 | 34 | GLY | CA | C | 46.943 | 0.019 | 1 |
338 | 1 | 34 | GLY | N | N | 108.197 | 0.000 | 1 |
339 | 1 | 35 | ILE | H | H | 7.863 | 0.002 | 1 |
340 | 1 | 35 | ILE | HA | H | 4.293 | 0.001 | 1 |
341 | 1 | 35 | ILE | HB | H | 1.359 | 0.002 | 1 |
342 | 1 | 35 | ILE | HG12 | H | 1.220 | 0.001 | 2 |
343 | 1 | 35 | ILE | HG13 | H | 0.927 | 0.000 | 2 |
344 | 1 | 35 | ILE | HG21 | H | -0.185 | 0.002 | 1 |
345 | 1 | 35 | ILE | HG22 | H | -0.185 | 0.002 | 1 |
346 | 1 | 35 | ILE | HG23 | H | -0.185 | 0.002 | 1 |
347 | 1 | 35 | ILE | HD11 | H | 0.591 | 0.001 | 1 |
348 | 1 | 35 | ILE | HD12 | H | 0.591 | 0.001 | 1 |
349 | 1 | 35 | ILE | HD13 | H | 0.591 | 0.001 | 1 |
350 | 1 | 35 | ILE | CA | C | 59.093 | 0.000 | 1 |
351 | 1 | 35 | ILE | CB | C | 42.882 | 0.000 | 1 |
352 | 1 | 35 | ILE | CG1 | C | 27.612 | 0.006 | 1 |
353 | 1 | 35 | ILE | CG2 | C | 16.890 | 0.000 | 1 |
354 | 1 | 35 | ILE | CD1 | C | 11.753 | 0.000 | 1 |
355 | 1 | 35 | ILE | N | N | 123.275 | 0.000 | 1 |
356 | 1 | 36 | ILE | H | H | 8.811 | 0.001 | 1 |
357 | 1 | 36 | ILE | HA | H | 3.988 | 0.000 | 1 |
358 | 1 | 36 | ILE | HB | H | 1.299 | 0.001 | 1 |
359 | 1 | 36 | ILE | HG12 | H | 0.585 | 0.000 | 1 |
360 | 1 | 36 | ILE | HG13 | H | 1.643 | 0.001 | 1 |
361 | 1 | 36 | ILE | HG21 | H | 0.762 | 0.001 | 1 |
362 | 1 | 36 | ILE | HG22 | H | 0.762 | 0.001 | 1 |
363 | 1 | 36 | ILE | HG23 | H | 0.762 | 0.001 | 1 |
364 | 1 | 36 | ILE | HD11 | H | 0.738 | 0.000 | 1 |
365 | 1 | 36 | ILE | HD12 | H | 0.738 | 0.000 | 1 |
366 | 1 | 36 | ILE | HD13 | H | 0.738 | 0.000 | 1 |
367 | 1 | 36 | ILE | CA | C | 60.760 | 0.000 | 1 |
368 | 1 | 36 | ILE | CB | C | 40.691 | 0.000 | 1 |
369 | 1 | 36 | ILE | CG1 | C | 27.591 | 0.023 | 1 |
370 | 1 | 36 | ILE | CG2 | C | 16.361 | 0.000 | 1 |
371 | 1 | 36 | ILE | CD1 | C | 14.652 | 0.000 | 1 |
372 | 1 | 36 | ILE | N | N | 125.544 | 0.000 | 1 |
373 | 1 | 37 | TYR | H | H | 8.681 | 0.000 | 1 |
374 | 1 | 37 | TYR | HA | H | 4.805 | 0.000 | 1 |
375 | 1 | 37 | TYR | HB2 | H | 2.871 | 0.002 | 2 |
376 | 1 | 37 | TYR | HB3 | H | 2.871 | 0.002 | 2 |
377 | 1 | 37 | TYR | HD1 | H | 6.999 | 0.001 | 1 |
378 | 1 | 37 | TYR | HD2 | H | 6.999 | 0.001 | 1 |
379 | 1 | 37 | TYR | HE1 | H | 6.710 | 0.002 | 1 |
380 | 1 | 37 | TYR | HE2 | H | 6.710 | 0.002 | 1 |
381 | 1 | 37 | TYR | CB | C | 40.522 | 0.000 | 1 |
382 | 1 | 37 | TYR | CD1 | C | 133.901 | 0.000 | 1 |
383 | 1 | 37 | TYR | CE1 | C | 118.711 | 0.000 | 1 |
384 | 1 | 37 | TYR | N | N | 129.565 | 0.000 | 1 |
385 | 1 | 38 | THR | H | H | 8.375 | 0.000 | 1 |
386 | 1 | 38 | THR | HA | H | 4.980 | 0.001 | 1 |
387 | 1 | 38 | THR | HB | H | 3.592 | 0.001 | 1 |
388 | 1 | 38 | THR | HG21 | H | 1.037 | 0.001 | 1 |
389 | 1 | 38 | THR | HG22 | H | 1.037 | 0.001 | 1 |
390 | 1 | 38 | THR | HG23 | H | 1.037 | 0.001 | 1 |
391 | 1 | 38 | THR | CA | C | 62.457 | 0.000 | 1 |
392 | 1 | 38 | THR | CB | C | 69.541 | 0.000 | 1 |
393 | 1 | 38 | THR | CG2 | C | 21.667 | 0.000 | 1 |
394 | 1 | 38 | THR | N | N | 118.659 | 0.000 | 1 |
395 | 1 | 39 | CYS | H | H | 9.141 | 0.001 | 1 |
396 | 1 | 39 | CYS | HA | H | 5.684 | 0.001 | 1 |
397 | 1 | 39 | CYS | HB2 | H | 1.408 | 0.000 | 1 |
398 | 1 | 39 | CYS | HB3 | H | 2.484 | 0.002 | 1 |
399 | 1 | 39 | CYS | CA | C | 50.793 | 0.000 | 1 |
400 | 1 | 39 | CYS | CB | C | 38.760 | 0.004 | 1 |
401 | 1 | 39 | CYS | N | N | 126.358 | 0.000 | 1 |
402 | 1 | 40 | CYS | H | H | 8.603 | 0.001 | 1 |
403 | 1 | 40 | CYS | HA | H | 5.548 | 0.001 | 1 |
404 | 1 | 40 | CYS | HB2 | H | 2.518 | 0.002 | 2 |
405 | 1 | 40 | CYS | HB3 | H | 3.205 | 0.002 | 2 |
406 | 1 | 40 | CYS | CA | C | 54.798 | 0.000 | 1 |
407 | 1 | 40 | CYS | CB | C | 47.537 | 0.006 | 1 |
408 | 1 | 40 | CYS | N | N | 117.457 | 0.000 | 1 |
409 | 1 | 41 | ASP | H | H | 8.313 | 0.000 | 1 |
410 | 1 | 41 | ASP | HA | H | 4.388 | 0.001 | 1 |
411 | 1 | 41 | ASP | HB2 | H | 2.706 | 0.000 | 2 |
412 | 1 | 41 | ASP | HB3 | H | 2.578 | 0.000 | 2 |
413 | 1 | 41 | ASP | CA | C | 56.174 | 0.000 | 1 |
414 | 1 | 41 | ASP | CB | C | 41.640 | 0.008 | 1 |
415 | 1 | 41 | ASP | N | N | 126.917 | 0.000 | 1 |